Geometry & MOs

Info

ID:

163315

PubChem CID:

57735039

Reduced:

NH31C40 (1)

Stoich.:

AB31C40 (1)

Weight, g/mol:

507.241246

ΔHf, kcal/mol:

143.91

Dipole, Da:

0.7

IP(EA), eV:

 -7.89(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(5-chloro-2-fluorophenyl)-N-[(2S)-1-[2-methoxyethyl(methyl)amino]-3,3-dimethyl-1-oxobutan-2-yl]-8-methyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=CC=C3)C4=CC5=C(C=C4)C(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C81)C

DOS

IR

Vibrations