Geometry & MOs

Info

ID:	328771
PubChem CID:	126727616
Reduced:	SN4O4C39H52 (1)
Stoich.:	AB4C4D39E52 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	7.08
IP(EA), eV:	-7.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[3-methyl-6-(2-oxopropyl)-6-bicyclo[3.2.0]hept-3-enyl]methyl]urea

Drug info:

PubChemData

Smile

C[C@@H]1C=C(C2=C(N1)C=C(C(C2)OC)OCCOC)SC3CC=CC(=C3)C(C(=O)NC4=CC(=NC(C4)C5=C(C=C(C=C5)C)C)C(C)(C)C)N

DOS

IR

Vibrations