Geometry & MOs

Info

ID:	219477
PubChem CID:	85148734
Reduced:	ClOSN5H24C28 (1)
Stoich.:	ABCD5E24F28 (1)
Weight, g/mol:	514.217597
ΔH_f, kcal/mol:	118.47
Dipole, Da:	6.71
IP(EA), eV:	-8.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethoxymethyl)-4-[5-methoxy-2-methyl-N-[(2-methyltetrazol-5-yl)methyl]anilino]-2-methyl-6-nitro-3,4-dihydrochromen-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=NN=C3N(C(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C

DOS

IR

Vibrations