Geometry & MOs

Info

ID:	162164
PubChem CID:	57393806
Reduced:	O3H8C11 (1)
Stoich.:	A3B8C11 (1)
Weight, g/mol:	567.00752
ΔH_f, kcal/mol:	-74.93
Dipole, Da:	2.43
IP(EA), eV:	-9.78(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[[2,5-dioxo-4-[4-(trifluoromethoxy)phenyl]-3H-thieno[3,2-e][1,4]diazepin-1-yl]methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=C(C1=O)C=CC(=C2)O

DOS

IR

Vibrations