Geometry & MOs

Info

ID:

169263

PubChem CID:

75081833

Reduced:

SN11O13C38H55 (1)

Stoich.:

AB11C13D38E55 (1)

Weight, g/mol:

625.282172

ΔHf, kcal/mol:

-564.26

Dipole, Da:

11.28

IP(EA), eV:

 -9.18(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-ethyl-1-N-[3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-5-methoxy-3-N-methylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C(CO)N

DOS

IR

Vibrations