Geometry & MOs

Info

ID:

427961

PubChem CID:

135165585

Reduced:

ClFSN3O3C27H27 (1)

Stoich.:

ABCD3E3F27G27 (1)

Weight, g/mol:

655.303766

ΔHf, kcal/mol:

-82.67

Dipole, Da:

10.96

IP(EA), eV:

 -8.28(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[1-methyl-2-oxo-5-(pyrrolidin-1-ylmethyl)pyridine-3-carbonyl]amino]phenyl]phenyl]-1-methyl-5-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C1CN(C1)C2=C3C=C(C(=C(C3=NS2)F)C4=CC(=CC5=CC=CC=C54)OC)Cl

DOS

IR

Vibrations