Geometry & MOs

Info

ID:	304399
PubChem CID:	124580847
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	8.85
IP(EA), eV:	-8.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4S)-3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C2=NC(=O)C3=C(N2)NC(=O)C[C@H]3C(=O)NC4=C(C=C(C=C4)C)C

DOS

IR

Vibrations