Geometry & MOs

Info

ID:	244438
PubChem CID:	99350868
Reduced:	SN2O4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	-115.58
Dipole, Da:	3.77
IP(EA), eV:	-7.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]benzotriazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations