Geometry & MOs

Info

ID:	33467
PubChem CID:	7886634
Reduced:	BrO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	407.057375
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	3.03
IP(EA), eV:	-9.55(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)phenyl]-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations