Geometry & MOs

Info

ID:	133656
PubChem CID:	51570125
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	397.122203
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	1.73
IP(EA), eV:	-8.94(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[3-[[(6R)-3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]chromen-2-ylidene]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)N[C@@H](C)C(C)C

DOS

IR

Vibrations