Geometry & MOs

Info

ID:	365293
PubChem CID:	127317655
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	397.124232
ΔH_f, kcal/mol:	-47.09
Dipole, Da:	4.5
IP(EA), eV:	-9.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(dimethylamino)methyl]pyrrolidine-1-carbonyl]-N-(1-methylpyrazol-4-yl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCC1CN2CCOCC2)N3C=NC=N3

DOS

IR

Vibrations