Geometry & MOs

Info

ID:	437020
PubChem CID:	135213781
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	337.215413
ΔH_f, kcal/mol:	-26.58
Dipole, Da:	5.55
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-3-[(2R)-1-phenylpropan-2-yl]urea

Drug info:

PubChemData

Smile

C[C@@H](CC1=CSC=C1)NC2=C(C(=O)C2=O)NC[C@H](CC3=CC(=O)NC=C3)N(C)C

DOS

IR

Vibrations