Geometry & MOs

Info

ID:	137653
PubChem CID:	52241072
Reduced:	N2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	362.152495
ΔH_f, kcal/mol:	-213.78
Dipole, Da:	4.54
IP(EA), eV:	-9.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(3-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-tert-butylpropanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N(C1=O)C[C@H](COC3=CC=CC(=C3)C(=O)C)O

DOS

IR

Vibrations