Geometry & MOs

Info

ID:	16753
PubChem CID:	476378
Reduced:	NSO3C14H16 (2)
Stoich.:	ABC3D14E16 (2)
Weight, g/mol:	556.170179
ΔH_f, kcal/mol:	-221.89
Dipole, Da:	10.08
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[[2-[[2-[[(3S)-1-carboxy-4-methylpent-1-en-3-yl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-5-methylhex-2-enoic 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

CC(C)[C@@H](C=CC(=O)O)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@H](C=CC(=O)O)C(C)C

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

CC(C)[C@@H](C=CC(=O)O)NC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)N[C@H](C=CC(=O)O)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):