Geometry & MOs

Info

ID:	58150
PubChem CID:	24424410
Reduced:	OSN3C18H23 (1)
Stoich.:	ABC3D18E23 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	12.32
Dipole, Da:	6.02
IP(EA), eV:	-8.45(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamothioylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NCC(C2=CC=CO2)N3CCCC3

DOS

IR

Vibrations