Geometry & MOs

Info

ID:	150293
PubChem CID:	53789981
Reduced:	N3O7C37H59 (1)
Stoich.:	A3B7C37D59 (1)
Weight, g/mol:	396.187149
ΔH_f, kcal/mol:	-377.32
Dipole, Da:	3.76
IP(EA), eV:	-9.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]-4-phenylcyclohexyl]ethanethioamide

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)NC1=CC=C(C=C1)NC(=O)CCNC(=O)C(C(C)(C)COC(=O)C)OC(=O)C

DOS

IR

Vibrations