Geometry & MOs

Info

ID:	302272
PubChem CID:	124360966
Reduced:	SN3O3C26H31 (1)
Stoich.:	AB3C3D26E31 (1)
Weight, g/mol:	384.23727
ΔH_f, kcal/mol:	-105.55
Dipole, Da:	4.54
IP(EA), eV:	-9.37(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclohexanecarbonyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations