Geometry & MOs

Info

ID:	369231
PubChem CID:	127331548
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	361.225308
ΔH_f, kcal/mol:	-86.41
Dipole, Da:	3.87
IP(EA), eV:	-8.81(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2CCCN2C3=NC=CS3

DOS

IR

Vibrations