Geometry & MOs

Info

ID:	154806
PubChem CID:	56314331
Reduced:	BrSO2N3H16C21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	451.05315
ΔH_f, kcal/mol:	7.23
Dipole, Da:	6.73
IP(EA), eV:	-9.01(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C1C(SC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations