Geometry & MOs

Info

ID:	88833
PubChem CID:	49957168
Reduced:	SN3O3C23H27 (1)
Stoich.:	AB3C3D23E27 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	10.46
IP(EA), eV:	-8.75(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yloxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations