Geometry & MOs

Info

ID:

114171

PubChem CID:

50473412

Reduced:

N5O5C33H39 (1)

Stoich.:

A5B5C33D39 (1)

Weight, g/mol:

627.34207

ΔHf, kcal/mol:

-170.47

Dipole, Da:

5.77

IP(EA), eV:

 -8.21(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylbutanoylamino)phenyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C)OC)C

DOS

IR

Vibrations