Geometry & MOs

Info

ID:	369018
PubChem CID:	127331122
Reduced:	S2N4O5C14H26 (1)
Stoich.:	A2B4C5D14E26 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-226.72
Dipole, Da:	5.83
IP(EA), eV:	-8.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-[(4-phenylcyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)NCC1CN(CCO1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations