Geometry & MOs

Info

ID:	235927
PubChem CID:	92711066
Reduced:	O3N4H22C24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	428.148455
ΔH_f, kcal/mol:	-0.99
Dipole, Da:	1.36
IP(EA), eV:	-8.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)N[C@H](C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations