Geometry & MOs

Info

ID:

148875

PubChem CID:

53788545

Reduced:

SN3O9C17H21 (1)

Stoich.:

AB3C9D17E21 (1)

Weight, g/mol:

742.441784

ΔHf, kcal/mol:

-361.38

Dipole, Da:

9.25

IP(EA), eV:

 -9.15(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butyl N-methyl-N-[(2S)-1-[[(2R)-1-[[2-[methyl-[1-(4-methylpiperazin-1-yl)-3-phenylpropan-2-yl]amino]acetyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1C(C(=O)NC(CSCC2=C(C=CC(=C2O)O)C(=O)O1)C(=O)O)NC(=O)[C@H](CO)N

DOS

IR

Vibrations