Geometry & MOs

Info

ID:	340005
PubChem CID:	127262014
Reduced:	SO3N4C14H24 (1)
Stoich.:	AB3C4D14E24 (1)
Weight, g/mol:	497.238667
ΔH_f, kcal/mol:	-142.03
Dipole, Da:	1.65
IP(EA), eV:	-9.22(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-amino-2-oxoethyl)-2-[[(2R)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N2CCC[C@H]2C(=O)N(CCS)CC(=O)N

DOS

IR

Vibrations