Geometry & MOs

Info

ID:	340001
PubChem CID:	127262010
Reduced:	SO3N4C15H26 (1)
Stoich.:	AB3C4D15E26 (1)
Weight, g/mol:	390.212787
ΔH_f, kcal/mol:	-149.44
Dipole, Da:	6.16
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(2-aminoacetyl)amino]-N-(2-amino-2-oxoethyl)-N-[bis(1H-imidazol-2-yl)methyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=S)N1

DOS

IR

Vibrations