Geometry & MOs

Info

ID:

114077

PubChem CID:

50470765

Reduced:

BrClF2O4N5C31H31 (1)

Stoich.:

ABC2D4E5F31G31 (1)

Weight, g/mol:

736.338461

ΔHf, kcal/mol:

-215.94

Dipole, Da:

9.1

IP(EA), eV:

 -9.15(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)Cl)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations