Geometry & MOs

Info

ID:	195884
PubChem CID:	78745779
Reduced:	BrSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	373.073242
ΔH_f, kcal/mol:	-127.64
Dipole, Da:	3.8
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-methyl-4-[5-(3-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C2C(=C(NC(=S)N2)C)C(=O)OC)OC

DOS

IR

Vibrations