Geometry & MOs

Info

ID:	197009
PubChem CID:	78908889
Reduced:	SCl2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	212.152478
ΔH_f, kcal/mol:	47.48
Dipole, Da:	2.35
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-4-methylpentanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations