Geometry & MOs

Info

ID:	395630
PubChem CID:	135026057
Reduced:	O2H24C25 (1)
Stoich.:	A2B24C25 (1)
Weight, g/mol:	752.353363
ΔH_f, kcal/mol:	-28.13
Dipole, Da:	2.53
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C=C(C=CC2=C1)CC(CC3=CC4=CC=CC=C4C=C3)(CO)CO

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C2C=C(C=CC2=C1)CC(CC3=CC4=CC=CC=C4C=C3)(CO)CO

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):