Geometry & MOs

Info

ID:	440724
PubChem CID:	135231120
Reduced:	ClOSN4H21C22 (1)
Stoich.:	ABCD4E21F22 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	34.3
Dipole, Da:	1.67
IP(EA), eV:	-8.41(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-oxa-5-azatricyclo[5.1.0.01,3]octan-5-ylsulfanyl)phenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=CC=C2Cl)SC3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations