Geometry & MOs

Info

ID:	313475
PubChem CID:	126614917
Reduced:	N2S2O7H18C21 (1)
Stoich.:	A2B2C7D18E21 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	-207.82
Dipole, Da:	6.16
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-acetyloxy-3-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(N(C(=S)S3)CCC(=O)NC4=CC(=C(C=C4)C(=O)O)O)O

DOS

IR

Vibrations