Geometry & MOs

Info

ID:	123409
PubChem CID:	50846087
Reduced:	ClNSO4C20H20 (1)
Stoich.:	ABCD4E20F20 (1)
Weight, g/mol:	349.236542
ΔH_f, kcal/mol:	-108.53
Dipole, Da:	4.36
IP(EA), eV:	-8.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-3-[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)OC)NC(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)OC

DOS

IR

Vibrations