Geometry & MOs

Info

ID:	213538
PubChem CID:	81064073
Reduced:	ClNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	203.134385
ΔH_f, kcal/mol:	-136.56
Dipole, Da:	4.09
IP(EA), eV:	-9.4(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[2-ethoxyethyl(methyl)amino]methyl]cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCOC(C)C)CCl

DOS

IR

Vibrations