Geometry & MOs

Info

ID:	196350
PubChem CID:	78814761
Reduced:	ClN4O4C17H17 (1)
Stoich.:	AB4C4D17E17 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-39.25
Dipole, Da:	10.58
IP(EA), eV:	-9.08(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)CCCNC2=CC=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations