Geometry & MOs

Info

ID:	302273
PubChem CID:	124360968
Reduced:	N4O5C18H32 (1)
Stoich.:	A4B5C18D32 (1)
Weight, g/mol:	384.23727
ΔH_f, kcal/mol:	-269.73
Dipole, Da:	9.73
IP(EA), eV:	-9.47(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NCC1CCC(CC1)C(=O)N[C@@H](CC(=O)N)C(=O)O)N

DOS

IR

Vibrations