Geometry & MOs

Info

ID:	336116
PubChem CID:	127255123
Reduced:	N4O4H12C15 (1)
Stoich.:	A4B4C12D15 (1)
Weight, g/mol:	395.243359
ΔH_f, kcal/mol:	-34.92
Dipole, Da:	1.24
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=COC(=CC1=O)C(=O)NC2=CC=CC(=C2)C3=NC=NN3

DOS

IR

Vibrations