Geometry & MOs

Info

ID:	189655
PubChem CID:	77885285
Reduced:	S2O5N7C13H19 (1)
Stoich.:	A2B5C7D13E19 (1)
Weight, g/mol:	344.235145
ΔH_f, kcal/mol:	-107.18
Dipole, Da:	5.1
IP(EA), eV:	-9.49(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-13-methyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl)methyl prop-2-enoate

Drug info:

PubChemData

Smile

C1C2N(C1=O)CC(C(S2)N)(CSC3=NN=NN3CCNCC(=O)O)C(=O)O

DOS

IR

Vibrations