Geometry & MOs

Info

ID:	195962
PubChem CID:	78755020
Reduced:	N4O5C19H29 (1)
Stoich.:	A4B5C19D29 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-185.72
Dipole, Da:	7.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762242
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[NH+](C)CC1=C(C(NC(=O)N1)C2=CC=CO2)C(=O)OCC

DOS

IR

Vibrations