Geometry & MOs

Info

ID:	44291
PubChem CID:	10502537
Reduced:	SN2O5C22H22 (1)
Stoich.:	AB2C5D22E22 (1)
Weight, g/mol:	426.205576
ΔH_f, kcal/mol:	-91.6
Dipole, Da:	4.63
IP(EA), eV:	-9.3(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-1-[(2R,5R,6R)-7-benzyl-8-oxo-1,7-diazatricyclo[7.3.0.02,6]dodeca-3,9,11-trien-5-yl]-3-methylurea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)[C@H](C3=CC=CC=C3)C(=O)NO

DOS

IR

Vibrations