Geometry & MOs

Info

ID:	145184
PubChem CID:	53475121
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	455.095807
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	3.64
IP(EA), eV:	-8.25(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl N-[3-(4-chlorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NCC#C

DOS

IR

Vibrations