Geometry & MOs

Info

ID:	302082
PubChem CID:	124349265
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	420.091056
ΔH_f, kcal/mol:	-126.1
Dipole, Da:	9.22
IP(EA), eV:	-8.85(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-1-[(2-chlorophenyl)methyl]-4-(3-methoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=O)N3C=C(C[C@@H]3[C@H](N2)O)/C=C/C(=O)N)O

DOS

IR

Vibrations