Geometry & MOs

Info

ID:	369157
PubChem CID:	127331445
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	2.87
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methylpyrimidin-4-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations