Geometry & MOs

Info

ID:	32037
PubChem CID:	4253983
Reduced:	O2N3C36H43 (1)
Stoich.:	A2B3C36D43 (1)
Weight, g/mol:	293.094646
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	3.42
IP(EA), eV:	-8.63(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=CN2CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations