Geometry & MOs

Info

ID:	437032
PubChem CID:	135213987
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	2.98
IP(EA), eV:	-8.93(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1-[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]-1-prop-2-enylurea

Drug info:

PubChemData

Smile

CCC(CC1=CSC=C1)NC(=O)NCC2CC3=C(CN2)C=C(C=C3)O

DOS

IR

Vibrations