Geometry & MOs

Info

ID:

104932

PubChem CID:

50105993

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-162.99

Dipole, Da:

7.64

IP(EA), eV:

 -9.0(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-[(3-fluorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C

DOS

IR

Vibrations