Geometry & MOs

Info

ID:	235912
PubChem CID:	92711042
Reduced:	N4O4H22C25 (1)
Stoich.:	A4B4C22D25 (1)
Weight, g/mol:	418.119654
ΔH_f, kcal/mol:	-47.02
Dipole, Da:	4.22
IP(EA), eV:	-9.3(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-2-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations