Geometry & MOs

Info

ID:

104747

PubChem CID:

50105244

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

613.32642

ΔHf, kcal/mol:

-181.66

Dipole, Da:

1.89

IP(EA), eV:

 -8.76(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]-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)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations