Geometry & MOs

Info

ID:	64083
PubChem CID:	29196050
Reduced:	SN2O5C23H28 (1)
Stoich.:	AB2C5D23E28 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-167.62
Dipole, Da:	8.87
IP(EA), eV:	-9.01(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N1CCC2=CC=CC=C2C1)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations