Geometry & MOs

Info

ID:	403053
PubChem CID:	135058537
Reduced:	SP3N7O18C30H42 (1)
Stoich.:	AB3C7D18E30F42 (1)
Weight, g/mol:	252.073719
ΔH_f, kcal/mol:	-884.11
Dipole, Da:	7.52
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-4-chloro-2-[[dimethyl(phenyl)silyl]methylidene]butanal

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1C(C([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC=C(C=C4)O)O

DOS

IR

Vibrations