Geometry & MOs

Info

ID:	128021
PubChem CID:	51027043
Reduced:	NSO3C20H27 (1)
Stoich.:	ABC3D20E27 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-128.4
Dipole, Da:	5.35
IP(EA), eV:	-8.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3R,4R)-3-hydroxybicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations