Geometry & MOs

Info

ID:

82168

PubChem CID:

49855716

Reduced:

SN3O5C27H27 (1)

Stoich.:

AB3C5D27E27 (1)

Weight, g/mol:

613.195917

ΔHf, kcal/mol:

-88.74

Dipole, Da:

8.65

IP(EA), eV:

 -9.58(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-6-[4-[[2-(3,3-difluoropyrrolidin-1-yl)pyridine-3-carbonyl]amino]benzoyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(C(=C(C2=O)OC)C(=O)C3=CC=C(C=C3)C(C)C)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations