Geometry & MOs

Info

ID:	78543
PubChem CID:	49693554
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	397.109627
ΔH_f, kcal/mol:	-50.65
Dipole, Da:	7.15
IP(EA), eV:	-8.69(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methyl-1,2-oxazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations