Geometry & MOs

Info

ID:	82342
PubChem CID:	49855913
Reduced:	O3N6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	597.208613
ΔH_f, kcal/mol:	34.9
Dipole, Da:	3.81
IP(EA), eV:	-9.36(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)CN5C=NC=N5

DOS

IR

Vibrations