Geometry & MOs

Info

ID:	335818
PubChem CID:	127254680
Reduced:	SN2O2C12H13 (2)
Stoich.:	AB2C2D12E13 (2)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	1.53
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CSCCN3C(=O)C(C4CC3(OC5=CC=CC=C45)C)C(=O)N)C

DOS

IR

Vibrations