Geometry & MOs

Info

ID:	368918
PubChem CID:	127330926
Reduced:	O3N4C21H32 (1)
Stoich.:	A3B4C21D32 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-132.44
Dipole, Da:	4.2
IP(EA), eV:	-8.6(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[4-(1-morpholin-4-ylethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NCC(=O)NC2CCCCC2)N3CCOCC3

DOS

IR

Vibrations