Geometry & MOs

Info

ID:	131761
PubChem CID:	51259166
Reduced:	ClFSO2N5C15H17 (1)
Stoich.:	ABCD2E5F15G17 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	4.73
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)SC2=NN=NN2CC3CCCO3

DOS

IR

Vibrations