Geometry & MOs

Info

ID:	433027
PubChem CID:	135173164
Reduced:	SN3O4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	356.163711
ΔH_f, kcal/mol:	-97.55
Dipole, Da:	3.49
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-(4-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-7-yl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(N(S(=O)(=O)C2=CC=CC=C12)C)C(=O)NC3=CC=CC(=N3)CC(C)CC4=CC=C(C=C4)C(C)C(=O)C

DOS

IR

Vibrations