Geometry & MOs

Info

ID:	84116
PubChem CID:	49864289
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	379.185569
ΔH_f, kcal/mol:	1.09
Dipole, Da:	5.47
IP(EA), eV:	-8.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=CC=C2)N(CC3CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations