Geometry & MOs

Info

ID:	127995
PubChem CID:	51025891
Reduced:	N2O4C16H23 (1)
Stoich.:	A2B4C16D23 (1)
Weight, g/mol:	415.14246
ΔH_f, kcal/mol:	-163.98
Dipole, Da:	4.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755577
Charge, e:	-1

Chem-info

IUPAC name:

(1S,2S,3R,4R)-3-[[3-chloro-4-(cyclohexanecarbonylamino)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCNC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C(=O)[O-]

DOS

IR

Vibrations