Geometry & MOs

Info

ID:

186722

PubChem CID:

77473043

Reduced:

F2S2N6O7C45H48 (1)

Stoich.:

A2B2C6D7E45F48 (1)

Weight, g/mol:

891.362547

ΔHf, kcal/mol:

-252.95

Dipole, Da:

4.92

IP(EA), eV:

 -8.43(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-1-[3,3-dimethyl-2-[4-(methylcarbamoyl)anilino]butanoyl]-4-[[2-(4-propan-2-yloxyphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]oxy]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NC3=C(C(=N2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC5=CC(=CC=C5)F)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7)SC8=C3C=C(C=C8)F

DOS

IR

Vibrations