Geometry & MOs

Info

ID:	336035
PubChem CID:	127255042
Reduced:	N5O5H21C23 (1)
Stoich.:	A5B5C21D23 (1)
Weight, g/mol:	488.188212
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	1.22
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-(azepane-1-carbonyl)-2-methoxyphenyl]-4-(4-phenyl-1,3-thiazol-2-yl)-2H-pyrrol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC(=O)CN2C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations