Geometry & MOs

Info

ID:	39233
PubChem CID:	8139957
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	409.157246
ΔH_f, kcal/mol:	-77.84
Dipole, Da:	3.52
IP(EA), eV:	-9.16(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations