Geometry & MOs

Info

ID:	305774
PubChem CID:	124968855
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	6.25
IP(EA), eV:	-9.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-1-(3-indazol-1-ylpropanoyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN([C@H](C1)C2=CC=CC=C2)S(=O)(=O)C3=CN=CC=C3

DOS

IR

Vibrations