Geometry & MOs

Info

ID:	174827
PubChem CID:	75820059
Reduced:	ClO2N3C22H27 (1)
Stoich.:	AB2C3D22E27 (1)
Weight, g/mol:	373.223966
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	8.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.986859
Charge, e:	1

Chem-info

IUPAC name:

[1-(furan-2-yl)-2-[[2-methyl-5-(2-methylpropanoylamino)phenyl]carbamoylamino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

C1C[NH+](CCOC1)CC2=CC=C(C=C2)C3NC(CC(=O)N3)C4=CC=CC=C4Cl

DOS

IR

Vibrations