Geometry & MOs

Info

ID:	271317
PubChem CID:	103654597
Reduced:	S2O4N5C9H13 (1)
Stoich.:	A2B4C5D9E13 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-30.61
Dipole, Da:	1.12
IP(EA), eV:	-9.04(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(quinazolin-4-ylamino)ethanesulfonamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNC1=C(N2C=CSC2=N1)[N+](=O)[O-]

DOS

IR

Vibrations