Geometry & MOs

Info

ID:	205348
PubChem CID:	80091155
Reduced:	ClOSN2C14H15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	252.066555
ΔH_f, kcal/mol:	12.1
Dipole, Da:	5.11
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(SC1)C(=O)NC2=CC(=C(C=C2)Cl)C#CCN

DOS

IR

Vibrations