Geometry & MOs

Info

ID:	194334
PubChem CID:	78517816
Reduced:	ClOSN5C18H18 (1)
Stoich.:	ABCD5E18F18 (1)
Weight, g/mol:	409.193632
ΔH_f, kcal/mol:	63.52
Dipole, Da:	4.77
IP(EA), eV:	-9.21(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN=N2)SCC(=O)NC(C)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations