Geometry & MOs

Info

ID:

100117

PubChem CID:

50058435

Reduced:

BrO4N5C30H32 (1)

Stoich.:

AB4C5D30E32 (1)

Weight, g/mol:

710.359197

ΔHf, kcal/mol:

-104.46

Dipole, Da:

5.0

IP(EA), eV:

 -8.8(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations