Geometry & MOs

Info

ID:	370411
PubChem CID:	127338498
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	13.63
Dipole, Da:	6.01
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-5-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl)-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C(C)C)C(=O)N3CCCN(C4=CC=CC=C43)C

DOS

IR

Vibrations