Geometry & MOs

Info

ID:

111355

PubChem CID:

50363098

Reduced:

BrO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-203.96

Dipole, Da:

7.82

IP(EA), eV:

 -9.04(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C(=O)NCC(C)C

DOS

IR

Vibrations