Geometry & MOs

Info

ID:

95501

PubChem CID:

50009880

Reduced:

SO4N6C22H28 (1)

Stoich.:

AB4C6D22E28 (1)

Weight, g/mol:

674.302825

ΔHf, kcal/mol:

-117.13

Dipole, Da:

7.7

IP(EA), eV:

 -8.97(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3,4-difluorophenyl)carbamoyl]phenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=NC=CS3

DOS

IR

Vibrations