Geometry & MOs

Info

ID:	339997
PubChem CID:	127262006
Reduced:	SN4O4C18H32 (1)
Stoich.:	AB4C4D18E32 (1)
Weight, g/mol:	472.254652
ΔH_f, kcal/mol:	-218.02
Dipole, Da:	4.46
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[(2S)-1-[(2-amino-2-oxoethyl)-[bis(1H-imidazol-2-yl)methyl]amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=S)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

DOS

IR

Vibrations