Geometry & MOs

Info

ID:	412411
PubChem CID:	135085302
Reduced:	NSO4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	324.179338
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	4.93
IP(EA), eV:	-9.08(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbanide;dimethylazanide;2-[2-(1H-pyrrol-2-yl)propan-2-yl]pyrrol-1-ide;titanium(4+)

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=C/C2=C3C(=CC=C2)OCO3

DOS

IR

Vibrations