Geometry & MOs

Info

ID:	13796
PubChem CID:	398384
Reduced:	SN2O3C23H32 (1)
Stoich.:	AB2C3D23E32 (1)
Weight, g/mol:	416.213364
ΔH_f, kcal/mol:	-151.57
Dipole, Da:	4.49
IP(EA), eV:	-8.67(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2

DOS

IR

Vibrations