Geometry & MOs

Info

ID:	359277
PubChem CID:	127297873
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	4.25
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(2-methyl-4-thiomorpholin-4-ylphenyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=N1)NC(=O)NCC2CCOC3=CC=CC=C23

DOS

IR

Vibrations