Geometry & MOs

Info

ID:	292141
PubChem CID:	114465825
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	297.078327
ΔH_f, kcal/mol:	-34.75
Dipole, Da:	1.71
IP(EA), eV:	-9.04(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[3-(3-aminoprop-1-ynyl)-4-methylphenyl]sulfamoyl]carbamate

Drug info:

PubChemData

Smile

CC(=C)COCCNCC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations