Geometry & MOs

Info

ID:

104164

PubChem CID:

50092300

Reduced:

O5N6C34H40 (1)

Stoich.:

A5B6C34D40 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-174.19

Dipole, Da:

9.35

IP(EA), eV:

 -8.51(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations