Geometry & MOs

Info

ID:	54402
PubChem CID:	17141563
Reduced:	S2N3O4C20H25 (1)
Stoich.:	A2B3C4D20E25 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-120.46
Dipole, Da:	11.81
IP(EA), eV:	-9.0(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yloxy-N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations