Geometry & MOs

Info

ID:	334747
PubChem CID:	127253422
Reduced:	ClSN2O5H25C27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	341.246713
ΔH_f, kcal/mol:	-116.24
Dipole, Da:	6.49
IP(EA), eV:	-8.81(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(cyclopropylmethyl)-3-phenylurea

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=CC(=CC=C4)C5=NC(=CS5)C

DOS

IR

Vibrations