Geometry & MOs

Info

ID:

104601

PubChem CID:

50104695

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-168.33

Dipole, Da:

9.88

IP(EA), eV:

 -8.79(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations