Geometry & MOs

Info

ID:

105997

PubChem CID:

50145806

Reduced:

ClO4N5C34H38 (1)

Stoich.:

AB4C5D34E38 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-126.6

Dipole, Da:

9.65

IP(EA), eV:

 -8.59(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations