Geometry & MOs

Info

ID:	129867
PubChem CID:	51074094
Reduced:	O2S2N4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	36.97
Dipole, Da:	5.81
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CONC(=O)CSC2=NC(=C3C=CSC3=N2)N

DOS

IR

Vibrations