Geometry & MOs

Info

ID:	363447
PubChem CID:	127311250
Reduced:	N3S3O4C15H17 (1)
Stoich.:	A3B3C4D15E17 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	-109.1
Dipole, Da:	7.94
IP(EA), eV:	-9.41(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2=CN=C(S2)C3=CSC=C3

DOS

IR

Vibrations