Geometry & MOs

Info

ID:	139224
PubChem CID:	52494542
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	386.219215
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	8.42
IP(EA), eV:	-8.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(1S)-1-[4-(carbamoylamino)phenyl]ethyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2CCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations