Geometry & MOs

Info

ID:

302573

PubChem CID:

124385145

Reduced:

SN4O8C21H30 (1)

Stoich.:

AB4C8D21E30 (1)

Weight, g/mol:

498.178435

ΔHf, kcal/mol:

-310.45

Dipole, Da:

4.49

IP(EA), eV:

 -8.96(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)[C@@H](CSC(=O)N(C1=CC=CC=C1)O)NC(=O)CC[C@H](C(=O)OCC)N

DOS

IR

Vibrations