Geometry & MOs

Info

ID:	234183
PubChem CID:	92297884
Reduced:	Br2N2O3C14H16 (1)
Stoich.:	A2B2C3D14E16 (1)
Weight, g/mol:	535.180187
ΔH_f, kcal/mol:	-119.96
Dipole, Da:	2.77
IP(EA), eV:	-9.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[5-(4-fluorophenyl)tetrazol-2-yl]acetyl]-(thiophen-2-ylmethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](C[C@H]([C@@H]1Br)Br)C(=O)O)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations