Geometry & MOs

Info

ID:

185471

PubChem CID:

77302681

Reduced:

BrN2O3C27H29 (1)

Stoich.:

AB2C3D27E29 (1)

Weight, g/mol:

893.360293

ΔHf, kcal/mol:

-39.81

Dipole, Da:

6.61

IP(EA), eV:

 -8.76(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[5-chloro-4-[[6-[2-methyl-4-(2-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COCC(CC1=CC=CC=C1)NC(=O)C2C3C=CC(C2C(=O)NC4=CC=C(C=C4)Br)C35CC5

DOS

IR

Vibrations