Geometry & MOs

Info

ID:	358804
PubChem CID:	127296672
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	356.086449
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	6.03
IP(EA), eV:	-9.24(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(5-morpholin-4-ylsulfonylthiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations