Geometry & MOs

Info

ID:	170415
PubChem CID:	75231340
Reduced:	BrSN5O8C31H36 (1)
Stoich.:	ABC5D8E31F36 (1)
Weight, g/mol:	432.14337
ΔH_f, kcal/mol:	-211.34
Dipole, Da:	7.0
IP(EA), eV:	-8.54(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[6-[(4-methoxyphenyl)carbamoylamino]-2-oxo-1H-indol-3-ylidene]methyl]-4-methyl-1H-pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCCOCCOCC#CC2CN(C(=O)NC2=O)C3C=CC(O3)CO)CCNC(=S)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations