Geometry & MOs

Info

ID:	292139
PubChem CID:	114465819
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	2.13
IP(EA), eV:	-8.7(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[[4-(3-aminoprop-1-ynyl)phenyl]methylsulfamoyl]carbamate

Drug info:

PubChemData

Smile

CC1COC2=CC=CC=C2C1NCCOCC(=C)C

DOS

IR

Vibrations