Geometry & MOs

Info

ID:	31608
PubChem CID:	855930
Reduced:	ClSN2O3C13H13 (1)
Stoich.:	ABC2D3E13F13 (1)
Weight, g/mol:	317.098669
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	2.55
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-5-phenyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Drug info:

PubChemData

Smile

CC(C)OC(=O)CSC1=NN=C(O1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations