Geometry & MOs

Info

ID:

107245

PubChem CID:

50196132

Reduced:

N6O7C41H52 (1)

Stoich.:

A6B7C41D52 (1)

Weight, g/mol:

740.389748

ΔHf, kcal/mol:

-267.73

Dipole, Da:

8.73

IP(EA), eV:

 -8.21(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCOCC5)C)OC

DOS

IR

Vibrations