Geometry & MOs

Info

ID:

107075

PubChem CID:

50188520

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-197.53

Dipole, Da:

5.13

IP(EA), eV:

 -9.01(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations